(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C23H22BrN3O — CID 53025836

About (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53025836) has the molecular formula C23H22BrN3O and a molecular weight of 436.35 g/mol. Its IUPAC name is (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 53025836
• Molecular Formula: C23H22BrN3O
• Molecular Weight: 436.35 g/mol
• Exact Mass: 435.09
• IUPAC Name: (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
• SMILES: Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3Br)CC1)c1cccn1-2
• InChI: InChI=1S/C23H22BrN3O/c1-16-8-9-20-19(15-16)25-23(21-7-4-12-27(20)21)10-13-26(14-11-23)22(28)17-5-2-3-6-18(17)24/h2-9,12,15,25H,10-11,13-14H2,1H3
• InChIKey: KQYGIMWBZXVDMW-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.35
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53025836) is (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3Br)CC1)c1cccn1-2.

What is the InChIKey of (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is KQYGIMWBZXVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O/c1-16-8-9-20-19(15-16)25-23(21-7-4-12-27(20)21)10-13-26(14-11-23)22(28)17-5-2-3-6-18(17)24/h2-9,12,15,25H,10-11,13-14H2,1H3.

What are the key properties of (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?

(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 436.35 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).